Molecule FYI-1005562

A

Molecule Summary:

ID: FYI-1005562
Names:
InChIKey: SYBUWYSSMUQWMW-UHFFFAOYSA-N
SMILES: Cc2cc(=O)oc3cc(N(C)c1ccccc1)c(CCO)cc23

Received at FYIcenter.com on: 2023-11-06

Molecule ID: FYI-1005562 Edit

Molecule Structure InChIKey: SYBUWYSSMUQWMW-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc2cc(=O)oc3cc(N(C)c1ccccc1)c(CCO)cc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1005562
FYIcenter.com

 23 25  0  0  0  0  0  0  0  0999 V2000
    8.4871    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
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  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  4  1  0  0  0  0
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 18  7  1  0  0  0  0
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 20 19  2  0  0  0  0
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 22 21  2  0  0  0  0
 22  6  1  0  0  0  0
 23 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005562-3D
FYIcenter.com

 42 44  0  0  0  0  0  0  0  0999 V2000
   -0.3403   -3.0311    0.0178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5568   -1.5504    0.0398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7897   -1.0201    0.0459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0507    0.4314    0.0301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1877    0.8590    0.0567 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9444    1.2560   -0.0627 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3550    0.7188   -0.0607 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3990    1.6388   -0.1780 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7672    1.2807   -0.1731 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7383    2.3282   -0.3012 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3330    3.7091    0.1481 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6166    2.5592   -1.4138 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3347    2.0844   -2.7034 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0973    2.5233   -3.8043 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1245    3.4538   -3.6213 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4175    3.9330   -2.3592 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6988    3.4716   -1.2711 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0361   -0.1286   -0.0491 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3759   -0.8651   -0.1255 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8277   -1.7913    1.0547 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9447   -2.8881    1.3118 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9230   -1.0340    0.0342 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5912   -0.6323    0.0232 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2718    3.8883    0.3229 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5728    4.5008   -0.5922 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8547    3.9630    1.0730 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4829    1.4336   -2.8712 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8471    2.1730   -4.7962 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6757    3.8182   -4.4921 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1810    4.7008   -2.2247 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9075    3.9060   -0.2886 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1928   -0.1653   -0.3160 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3060   -1.5242   -0.9991 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9594   -1.2349    1.9846 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7914   -2.2520    0.7946 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1015   -3.1744    2.2303 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1387   -2.0987    0.0718 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  2  0  0  0  0
  2 23  1  0  0  0  0
  3  4  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 23  2  0  0  0  0
  8  9  2  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  0  0  0  0
  9 18  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  2  0  0  0  0
 13 14  2  0  0  0  0
 13 32  1  0  0  0  0
 14 15  1  0  0  0  0
 14 33  1  0  0  0  0
 15 16  2  0  0  0  0
 15 34  1  0  0  0  0
 16 17  1  0  0  0  0
 16 35  1  0  0  0  0
 17 36  1  0  0  0  0
 18 19  1  0  0  0  0
 18 22  2  0  0  0  0
 19 20  1  0  0  0  0
 19 37  1  0  0  0  0
 19 38  1  0  0  0  0
 20 21  1  0  0  0  0
 20 39  1  0  0  0  0
 20 40  1  0  0  0  0
 21 41  1  0  0  0  0
 22 23  1  0  0  0  0
 22 42  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-09, 2300👍, 0💬